2-(2-methoxyethylsulfonyl)-1-(2-methylphenyl)ethanone

C12H16O4S — CID 64642016

IUPAC2-(2-methoxyethylsulfonyl)-1-(2-methylphenyl)ethanone
SMILESCOCCS(=O)(=O)CC(=O)c1ccccc1C
InChIInChI=1S/C12H16O4S/c1-10-5-3-4-6-11(10)12(13)9-17(14,15)8-7-16-2/h3-6H,7-9H2,1-2H3
InChIKeyZCKNZXMLHGJKDD-UHFFFAOYSA-N
MW256.32 g/mol
LogP1.24
Rot. Bonds6

About 2-(2-methoxyethylsulfonyl)-1-(2-methylphenyl)ethanone

2-(2-methoxyethylsulfonyl)-1-(2-methylphenyl)ethanone (PubChem CID 64642016) has the molecular formula C12H16O4S and a molecular weight of 256.32 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfonyl)-1-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-methoxyethylsulfonyl)-1-(2-methylphenyl)ethanone
PubChem CID64642016
Molecular FormulaC12H16O4S
Molecular Weight256.32 g/mol
Exact Mass256.08
IUPAC Name2-(2-methoxyethylsulfonyl)-1-(2-methylphenyl)ethanone
SMILESCOCCS(=O)(=O)CC(=O)c1ccccc1C
InChIInChI=1S/C12H16O4S/c1-10-5-3-4-6-11(10)12(13)9-17(14,15)8-7-16-2/h3-6H,7-9H2,1-2H3
InChIKeyZCKNZXMLHGJKDD-UHFFFAOYSA-N
XLogP1.24
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyethylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanone
CID 64644353
2-[3-(2-methoxyethoxy)propoxy]-1-(2-methylphenyl)ethanone
CID 103403707
2-(3-methoxypropylsulfonyl)-1-(3-methylphenyl)ethanone
CID 64637916
1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylsulfonyl)ethanone
CID 64644347
2-dimethylphosphoryloxy-1-(2-methylphenyl)ethanone
CID 174630360
1,2-bis(2-methylphenyl)ethanone
CID 11345119
2-(3-methoxypropylsulfonyl)-1-(5-methylthiophen-2-yl)ethanone
CID 64637339
ethane;3-(4-methoxyphenyl)-1-(2-methylphenyl)propan-1-one
CID 145125132
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 113339830
3-(2-methoxyethylsulfonyl)-2-phenylpropanoic acid
CID 64558648
1-(2-chlorophenyl)-2-(3-methylbutylsulfonyl)ethanone
CID 107767968
1-(2-methylphenyl)-3-propan-2-yloxypropan-1-one
CID 114998408

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfonyl)-1-(2-methylphenyl)ethanone?
The IUPAC name of 2-(2-methoxyethylsulfonyl)-1-(2-methylphenyl)ethanone (CID 64642016) is 2-(2-methoxyethylsulfonyl)-1-(2-methylphenyl)ethanone.
What is the SMILES notation for 2-(2-methoxyethylsulfonyl)-1-(2-methylphenyl)ethanone?
The canonical SMILES for 2-(2-methoxyethylsulfonyl)-1-(2-methylphenyl)ethanone is COCCS(=O)(=O)CC(=O)c1ccccc1C.
What is the InChIKey of 2-(2-methoxyethylsulfonyl)-1-(2-methylphenyl)ethanone?
The InChIKey is ZCKNZXMLHGJKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4S/c1-10-5-3-4-6-11(10)12(13)9-17(14,15)8-7-16-2/h3-6H,7-9H2,1-2H3.
What are the key properties of 2-(2-methoxyethylsulfonyl)-1-(2-methylphenyl)ethanone?
2-(2-methoxyethylsulfonyl)-1-(2-methylphenyl)ethanone has a molecular weight of 256.32 g/mol, XLogP of 1.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfonyl)-1-(2-methylphenyl)ethanone is sourced from PubChem (CID 64642016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).